9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C37H24N4 — CID 166889355

IUPAC9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C37H24N4/c1-2-13-26(14-3-1)35-38-36(40-37(39-35)32-21-11-15-25-12-4-5-18-29(25)32)27-16-10-17-28(24-27)41-33-22-8-6-19-30(33)31-20-7-9-23-34(31)41/h1-24H
InChIKeyJKZQHHCBMHUYQK-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.12
Rot. Bonds4

About 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole

9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 166889355) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID166889355
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C37H24N4/c1-2-13-26(14-3-1)35-38-36(40-37(39-35)32-21-11-15-25-12-4-5-18-29(25)32)27-16-10-17-28(24-27)41-33-22-8-6-19-30(33)31-20-7-9-23-34(31)41/h1-24H
InChIKeyJKZQHHCBMHUYQK-UHFFFAOYSA-N
XLogP9.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[4-(3-carbazol-9-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901415
12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 155241041
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
9-[5-(4-chrysen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]carbazole
CID 170109199
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
5-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621946
5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 139342074
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)carbazole
CID 146535538
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 166889355) is 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is JKZQHHCBMHUYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-2-13-26(14-3-1)35-38-36(40-37(39-35)32-21-11-15-25-12-4-5-18-29(25)32)27-16-10-17-28(24-27)41-33-22-8-6-19-30(33)31-20-7-9-23-34(31)41/h1-24H.
What are the key properties of 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 524.63 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 166889355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).